Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene...Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.展开更多
In the practical slope engineering,the stability of lower sliding mass(region A)with back tensile cracks of the jointed rock slope attracts more attentions,but the upper rock mass(region B)may also be unstable.Therefo...In the practical slope engineering,the stability of lower sliding mass(region A)with back tensile cracks of the jointed rock slope attracts more attentions,but the upper rock mass(region B)may also be unstable.Therefore,in this study,based on the stepped failure mode of bedding jointed rock slopes,considering the influence of the upper rock mass on the lower stepped sliding mass,the improved failure model for analyzing the interaction force(F_(AB))between two regions is constructed,and the safety factors(F_(S))of two regions and whole region are derived.In addition,this paper proposes a method to determine the existence of F_(AB) using their respective acceleration values(a_(A) and a_(B))when regions A and B are unstable.The influences of key parameters on two regions and the whole region are analyzed.The results show that the variation of the F_(AB) and F_(S) of two regions can be obtained accurately based on the improved failure model.The accuracy of the improved failure model is verified by comparative analysis.The research results can explain the interaction mechanism of two regions and the natural phenomenon of slope failure caused by the development of cracks.展开更多
The seminal report ofα-diimine palladium and nickel catalysts in 1995 represented a major breakthrough in the preparation of functionalized polyolefin materials.Owing to the high abundance and low cost of nickel,nick...The seminal report ofα-diimine palladium and nickel catalysts in 1995 represented a major breakthrough in the preparation of functionalized polyolefin materials.Owing to the high abundance and low cost of nickel,nickel-based catalysts have great application prospects in the industrialization process of olefin coordination polymerization.In this work,various N-aryl substituents with different electronic effects were synthesized and introduced intoα-diimine ligands.The aspreparedα-diimine nickel catalysts showed high polymerization activity(0.9×10^(7)–3.0×10^(7)g·mol^(−1)·h^(−1))in ethylene polymerization,generating polyethylene products with adjustable molecular weights(Mn values:7.4×10^(4)–146.9×10^(4)g·mol^(−1))and branching densities(31/1000 C–68/1000 C).The resulting polyethylene products showed excellent mechanical properties,with high tensile strength(up to 25.0 MPa)and high strain at break values(up to 3890%).The copolymerization of ethylene and polar monomers can also be achieved by these nicekel complexes,ultimately preparing functionalized polyolefins.展开更多
The traditional stability analysis method of geogrid reinforced slopes does not consider the effect of lateral swelling,so it is not applicable to reinforced expansive soil slopes.This paper reports a new stability an...The traditional stability analysis method of geogrid reinforced slopes does not consider the effect of lateral swelling,so it is not applicable to reinforced expansive soil slopes.This paper reports a new stability analysis method for geogrid reinforced expansive soil slopes.The additional pullout force of the free zone due to the lateral swelling and the anti-pullout safety factor of each geogrid layer were obtained by ensuring the overall stability of the reinforced slope.The optimum design was carried out to treat an expansive soil cut slope in Hubei Province,China,by changing the spacing and length of geogrid reinforcement.Calculation results show that the additional pullout force caused by lateral swelling has a great influence on the anti-pullout stability of geogrids,and the local stability of the reinforced slope will be overestimated if the swelling effect of soil in the free zone is not considered.展开更多
Recycling end-of-life tire rubber as asphalt modifier is known as a sustainable paving technology with merits including enhanced pavement durability,waste tire consumption and noise reduction.However,the criticisms on...Recycling end-of-life tire rubber as asphalt modifier is known as a sustainable paving technology with merits including enhanced pavement durability,waste tire consumption and noise reduction.However,the criticisms on the high construction emissions of asphalt rubber(AR)have limited its application.Warm mix asphalt(WMA)effectively reduces the mixing and compaction temperatures of conventional hot mix asphalt mixtures.The combination of AR and WMA,called warm asphalt rubber(WAR),is a promising paving material which achieves pavement sustainability from principles to practices.Many studies have demonstrated that WMA technologies work effectively with AR pavement in different ways,alleviating the concerns of potential higher emissions of AR by decreasing mixing and paving temperatures.A comprehensive literature review about WAR brings a better understanding of this promising paving technology.The findings of 165 publications were summarized in this review.It summarized the recent developments of WAR in various aspects,including rheological properties,mix design,mixture mechanical performance,field application,construction emission,and asphalt-rubber-WMA additive interaction.It is expected that this review is able to provide extensive information to explore further research development and application of WAR.展开更多
A catalyst of ferroelectric-BaTiO_(3)@photoelectric-TiO_(2) nanohybrids(BaTiO_(3)@TiO_(2))with enhanced photocatalytic activity was synthesized via a hydrolysis precipitation combined with a hydrothermal approach.Comp...A catalyst of ferroelectric-BaTiO_(3)@photoelectric-TiO_(2) nanohybrids(BaTiO_(3)@TiO_(2))with enhanced photocatalytic activity was synthesized via a hydrolysis precipitation combined with a hydrothermal approach.Compared to pure TiO_(2),pure BaTiO_(3) and BaTiO_(3)/TiO_(2) physical mixture,the heterostructured BaTiO_(3)@TiO_(2) exhibits significantly improved photocatalytic activity and cycling stability in decomposing Rhodamine B(RhB)and the degradation efficiency is 1.7 times higher than pure TiO_(2) and 7.2 times higher than pure BaTiO_(3).These results are mainly attributed to the synergy effect of photoelectric TiO_(2),ferroelectric-BaTiO_(3) and the rationally designed interfacial structure.The mesoporous microstructure of TiO_(2) is of a high specific area and enables excellent photocatalytic activity.The ferroelectric polarization induced built-in electric field in BaTiO_(3) nanoparticles,and the intimate interfacial interactions at the interface of BaTiO_(3) and TiO_(2) are effective in driving the separation and transport of photogenerated charge carriers.This strategy will stimulate the design of heterostructured photocatalysts with outstanding photocatalytic performance via interface engineering.展开更多
The subcritical crack growth and fracture toughness in peridotite, lherzolite and amphibolite were investigated with double torsion test. The results show that water-rock interaction has a significant influence on sub...The subcritical crack growth and fracture toughness in peridotite, lherzolite and amphibolite were investigated with double torsion test. The results show that water-rock interaction has a significant influence on subcritical crack growth. With water-rock interaction, the crack velocity increases, while the stress intensity factor declines, which illustrates that water-rock interaction can decrease the strength of rocks and accelerate the subcritical crack growth. Based on Charlse theory and Hilling & Charlse theory, the test data were analyzed by regression and the correlation coefficients were all higher than 0.7, which shows the correlation is significant. This illustrates that both theories can explain the results of tests very well. Therefore, it is believed that the subcritical crack growth attributes to the breaking of chemical bond, which is caused by the combined effect of the tensile stress and the chemical reaction between the material at crack tip and the corrosive agent. Meanwhile, water-rock interaction has a vital effect on fracture toughness. The fracture toughness of samples under atmospheric environment is higher than that of samples immersed in water. And water-rock interaction has larger influence on fracture toughness in amphibolite than that in peridotite and lherzolite.展开更多
The present work deals with an investigation of the self-starting aerodynamic characteristics of VAWT under fluctuating wind. In contrast to the previous studies, the rotational speed of the turbine is not fixed, the ...The present work deals with an investigation of the self-starting aerodynamic characteristics of VAWT under fluctuating wind. In contrast to the previous studies, the rotational speed of the turbine is not fixed, the rotation of the turbine is determined by the dynamic interaction between the fluctuating wind and turbine. A weak coupling method is developed to simulate the dynamic interaction between the fluctuating wind and passive rotation turbine, and the results show that if the fluctuating wind with appropriate fluctuation amplitude and frequency, the self-starting aerodynamic characteristics of VAWT will be enhanced. It is also found that compared with the fluctuation amplitude, the fluctuation frequency of the variation in wind velocity is shown to have a minor effect on the performance of the turbine. The analysis will provide straightforward physical insight into the self-starting aerodynamic characteristics of VAWT under fluctuating wind.展开更多
Based on the working principle and the damping characteristic of hydraulic shock absorber, a fluid structure interaction method was presented, which was used to analyze the microcosmic and high-frequency processing me...Based on the working principle and the damping characteristic of hydraulic shock absorber, a fluid structure interaction method was presented, which was used to analyze the microcosmic and high-frequency processing mechanism of fluid structure interaction between circulation valve and liquid of hydraulic shock absorber. The fluid mesh distortion was controlled by the CEL language, and the fluid struc^tre interaction mathematical model was established. The finite element model was established by ANSYS CFX software and was analyzed by dynamic mesh technique. The local sensitive computational area was meshed by prismatic grid, which could reduce the negative volume problem during the simulation. The circulation valve and liquid of hydraulic shock absorber were simulated and analyzed under the condition of sinusoidal inlet velocity loads. Flow characteristic and dynamics characteristic were obtained. The pressure distribution and the displacement of circulation value were obtained, and the acceleration curve of circulation valve was simulated and analyzed. The conformity of the final simulation results with the experimental datum indicates that this method is accurate and reliable to analyze the dynamics characteristic between circulation valve and liquid of hydraulic shock absorber, which can provide a theoretical foundation for optimizing hydraulic shock absorber in the future.展开更多
Abstract： With the substitution of part Mg in LaMg3 by Cu, the elastic constants CH and C12 increase while C44 decreases, implying an enhanced Poisson effect and smaller resistance to 〈001〉（100） shear. Furthermor...Abstract： With the substitution of part Mg in LaMg3 by Cu, the elastic constants CH and C12 increase while C44 decreases, implying an enhanced Poisson effect and smaller resistance to 〈001〉（100） shear. Furthermore, the bulk modulus B increases, while the shear modulus G, elastic modulus E and anisotropie ratio A are reduced. The calculated Debye temperature of LaCuMg2 is lower, implying the weaker interaction between atoms in LaCuMg2. Then, the stress-strain curves in entire range and the ideal strength at critical strain are studied. The present results show that the lowest ideal tensile strength for LaMg3 and LaCuMg2 is in the 〈100〉 direction. The ideal shear strength on the 〈 1 ^-1 0〉（110） slip system of LaMg3 is greater than LaCuMg2. The density of states and charge density distribution are further studied to understand the inherent mechanism of the mechanical properties.展开更多
The effects of soil and water conservation （SWC） on soil properties are well documented. However, definitive and quantitative information of SWC and its interactions with soil properties on soil productivity is lack...The effects of soil and water conservation （SWC） on soil properties are well documented. However, definitive and quantitative information of SWC and its interactions with soil properties on soil productivity is lacking for hilly red soil region of southern China. Experiments were conducted in the hilly red soil region of southern China for seven years in three rtmoffplots, each of which represented different SWC forest-grass measures. Principal component analysis and multiple regression techniques were used to relate the aboveground biomass （representing soil productivity） to soil properties. Based on the final regression equations, soil organic carbon content （Sot） is significantly correlated with soil productivity under the condition of forest-grass measures, whereas pH value and cation exchange capacity （Cee） are the main factors for soil productivity without SWC. Therefore, SWC plays an important role in sequestering Soc and improving soil productivity.展开更多
The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite un...The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite undergo significant surface atom relaxation after geometry optimization, which results in a considerable distortion of the surface region. In the normal direction, i.e., perpendicular to the surface, S atoms in the first surface layer move outward from the bulk, while Fe atoms move toward the bulk, forming an S-rich surface. The surface relaxation processes are driven by electrostatic interaction, which is evidenced by a relative decrease in the surface energy after surface relaxation. Such a relaxation process is visually interpreted through the qualitative analysis of molecular mechanics. Atomic force microscopy(AFM) analysis reveals that only sulfur atom is visible on the pyrite surface. This result is consistent with the DFT data. Such S-rich surface has important influence on the flotation properties of pyrite.展开更多
The dynamic interaction between tunnel lining and its surrounding soil is a complicated issue as the magnitude of seismic wave from bedrock to the structure can be easily influenced by the geometrical layout and struc...The dynamic interaction between tunnel lining and its surrounding soil is a complicated issue as the magnitude of seismic wave from bedrock to the structure can be easily influenced by the geometrical layout and structural stiffness of the tunnel.A series of numerical analysis was conducted to study the dynamic response of the tunnel lining of side-by-side and vertically stacked double-tube tunnel since the inertia and kinematic interactions between the tunnel lining and the surrounding soil during an earthquake could induce excessive stresses to the lining itself due to the stiffness variation between the lining and the soil.Real earthquake ground acceleration was used as an input motion in the dynamic analysis.The interactive behavior of bending moment and axial forces,and the displacement of the tunnels were used to evaluate the effect of tunnel geometrical layout on the performance of the lining.It is found that the effect of earthquake on the axial thrust of the lining is insignificant,and there is a reduction of the bending moment in the lining due to the redistribution of the surrounding soil after the earthquake.展开更多
A heavy-haul train-track coupled model is developed. Taking the emergency braking of the 2×104 t combined train as example, the train longitudinal impulse, the coupler dynamic behaviors and wheel-rail interaction...A heavy-haul train-track coupled model is developed. Taking the emergency braking of the 2×104 t combined train as example, the train longitudinal impulse, the coupler dynamic behaviors and wheel-rail interactions of vehicles distributing in the different positions are analyzed. The results indicate that under the coupler compressing forces, the couplers of middle locomotives may tilt to the free swing limits, which induces the unidirectional tilt of their connected wagon couplers. Consequently, the coupler longitudinal forces produce the lateral components, and then affect the wheel-rail dynamic interaction. The performance of the middle locomotive and their neighboring freight wagons deteriorate significantly, becoming the most dangerous parts in the combined train. The wagons disconnecting with the locomotives can basically keep their couplers to stabilize in the centering positions, even though the maximum coupler longitudinal force acts on it. And its corresponding running safety also has little changes.展开更多
Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding perf...Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding performance. The interaction mechanism between CMC and iron ore particles was analyzed through Zeta potential measurements, adsorption measurements and infrared spectra. The results show that the interaction is chemical adsorption-oriented and the CMC's adsorption performance is related to the properties of CMC as well as the type of iron oxides. CMC has a greater affinity to Fe2O3 than Fe3O4, and CMC with higher relative molecular mass shows a higher adsorption isotherm. Pelletization of practical iron ore concentrates added with CMC further illustrates that CMC with higher relative molecular mass or DS exhibits a better binding performance, which is consistent with the results of adsorption tests.展开更多
Geogrid has been extensively used in geotechnical engineering practice due to its effectiveness and economy. Deep insight into the interaction between the backfill soil and the geogrid is of great importance for prope...Geogrid has been extensively used in geotechnical engineering practice due to its effectiveness and economy. Deep insight into the interaction between the backfill soil and the geogrid is of great importance for proper design and construction of geogrid reinforced earth structures. Based on the calibrated model of sand and geogrid, a series of numerical pullout tests are conducted using PFC^(3D) under special considerations of particle angularity and aperture geometry of the geogrid. In this work, interface characteristics regarding the displacement and contact force developed among particles and the deformation and force distribution along the geogrid are all visualized with PFC^(3D) simulations so that new understanding on how geogrid-soil interaction develops under pullout loads can be obtained. Meanwhile, a new variable named fabric anisotropy coefficient is introduced to evaluate the inherent relationship between macroscopic strength and microscopic fabric anisotropy. A correlation analysis is adopted to compare the accuracy between the newly-proposed coefficient and the most commonly used one. Furthermore, additional pullout tests on geogrid with four different joint protrusion heights have been conducted to investigate what extent and how vertical reinforcement elements may result in reinforcement effects from perspectives of bearing resistance contribution, energy dissipation, as well as volumetric response. Numerical results show that both the magnitude and the directional variation of normal contact forces govern the development of macroscopic strength and the reinforcing effects of joint protrusion height can be attributed to the accelerated energy dissipation across the particle assembly and the intensive mobilization of the geogrid.展开更多
Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple...Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic （MD） simulation for model 0020 was conducted in normal saline （0.9%, w/F） under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers （ARBs）. The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design：展开更多
The correspondence analysis will describe elemental association accompanying an indicator samples.This analysis indicates strong mineralization of Ag,As,Pb,Te,Mo,Au,Zn and to a lesser extent S,W,Cu at Glojeh polymetal...The correspondence analysis will describe elemental association accompanying an indicator samples.This analysis indicates strong mineralization of Ag,As,Pb,Te,Mo,Au,Zn and to a lesser extent S,W,Cu at Glojeh polymetallic mineralization,NW Iran.This work proposes a backward elimination approach(BEA)that quantitatively predicts the Au concentration from main effects(X),quadratic terms(X2)and the first order interaction(Xi×Xj)of Ag,Cu,Pb,and Zn by initialization,order reduction and validation of model.BEA is done based on the quadratic model(QM),and it was eliminated to reduced quadratic model(RQM)by removing insignificant predictors.During the QM optimization process,overall convergence trend of R2,R2(adj)and R2(pred)is obvious,corresponding to increase in the R2(pred)and decrease of R2.The RQM consisted of(threshold value,Cu,Ag×Cu,Pb×Zn,and Ag2-Pb2)and(Pb,Ag×Cu,Ag×Pb,Cu×Zn,Pb×Zn,and Ag2)as main predictors of optimized model according to288and679litho-samples in trenches and boreholes,respectively.Due to the strong genetic effects with Au mineralization,Pb,Ag2,and Ag×Pb are important predictors in boreholes RQM,while the threshold value is known as an important predictor in the trenches model.The RQMs R2(pred)equal74.90%and60.62%which are verified by R2equal to73.9%and60.9%in the trenches and boreholes validation group,respectively.展开更多
文摘Two Gd_(2)complexes,namely[Gd_(2)(dbm)_(2)(HL_(1))_(2)(CH_(3)OH)_(2)]·4CH_(3)OH(1)and[Gd_(2)(dbm)_(2)(L_(2))_(2)(CH_(3)OH)_(2)]·2CH_(3)OH(2),where H_(3)L_(1)=(Z)-N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxyacetohydrazide,H_(2)L_(2)=(E)-N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)nicotinohydrazide,Hdbm=dibenzoylmethane,have been constructed by adopting the solvothermal method.Structural characterization unveils that both complexes 1 and 2 are constituted by two Gd^(3+)ions,two dbm-ions,two CH_(3)OH molecules,and two polydentate Schiff-base ligands(HL_(1)^(2-)or L_(2)^(2-)).In addition,complex 1 contains four free methanol molecules,whereas complex 2 harbors two free methanol molecules.By investigating the interactions between complexes 1 and 2 and four types of bacteria(Bacillus subtilis,Escherichia coli,Staphylococcus aureus,Candida albicans),it was found that both complexes 1 and 2 exhibited potent antibacte-rial activities.The interaction mechanisms between the ligands H_(3)L_(1),H_(2)L_(2),complexes 1 and 2,and calf thymus DNA(CT-DNA)were studied using ultraviolet-visible spectroscopy,fluorescence titration,and cyclic voltammetry.The results demonstrated that both complexes 1 and 2 can intercalate into CT-DNA molecules,thereby inhibiting bacterial proliferation to achieve the antibacterial effects.CCDC:2401116,1;2401117,2.
基金Projects(52208369,52309138,52108320)supported by the National Natural Science Foundation of ChinaProjects(2023NSFSC0284,2025ZNSFSC0409)supported by the Sichuan Science and Technology Program,ChinaProject(U22468214)supported by the Joint Fund Project for Railway Basic Research by the National Natural Science Foundation of China and China State Railway Group Co.,Ltd.
文摘In the practical slope engineering,the stability of lower sliding mass(region A)with back tensile cracks of the jointed rock slope attracts more attentions,but the upper rock mass(region B)may also be unstable.Therefore,in this study,based on the stepped failure mode of bedding jointed rock slopes,considering the influence of the upper rock mass on the lower stepped sliding mass,the improved failure model for analyzing the interaction force(F_(AB))between two regions is constructed,and the safety factors(F_(S))of two regions and whole region are derived.In addition,this paper proposes a method to determine the existence of F_(AB) using their respective acceleration values(a_(A) and a_(B))when regions A and B are unstable.The influences of key parameters on two regions and the whole region are analyzed.The results show that the variation of the F_(AB) and F_(S) of two regions can be obtained accurately based on the improved failure model.The accuracy of the improved failure model is verified by comparative analysis.The research results can explain the interaction mechanism of two regions and the natural phenomenon of slope failure caused by the development of cracks.
基金supported by the National Key R&D Program of China(2021YFA1501700)Fundamental Research Funds for the Central Universities(WK9990000142).
文摘The seminal report ofα-diimine palladium and nickel catalysts in 1995 represented a major breakthrough in the preparation of functionalized polyolefin materials.Owing to the high abundance and low cost of nickel,nickel-based catalysts have great application prospects in the industrialization process of olefin coordination polymerization.In this work,various N-aryl substituents with different electronic effects were synthesized and introduced intoα-diimine ligands.The aspreparedα-diimine nickel catalysts showed high polymerization activity(0.9×10^(7)–3.0×10^(7)g·mol^(−1)·h^(−1))in ethylene polymerization,generating polyethylene products with adjustable molecular weights(Mn values:7.4×10^(4)–146.9×10^(4)g·mol^(−1))and branching densities(31/1000 C–68/1000 C).The resulting polyethylene products showed excellent mechanical properties,with high tensile strength(up to 25.0 MPa)and high strain at break values(up to 3890%).The copolymerization of ethylene and polar monomers can also be achieved by these nicekel complexes,ultimately preparing functionalized polyolefins.
基金Project(51978085)supported by the National Natural Science Foundation of ChinaProject(201808430102)supported by the China Scholarship Council+1 种基金Project(JTG-201507)supported by the Highway Industry Standard Compilation Project of Ministry of Transportation,ChinaProject(kfj180102)supported by the Open Fund of Changsha University of Science&Technology,China。
文摘The traditional stability analysis method of geogrid reinforced slopes does not consider the effect of lateral swelling,so it is not applicable to reinforced expansive soil slopes.This paper reports a new stability analysis method for geogrid reinforced expansive soil slopes.The additional pullout force of the free zone due to the lateral swelling and the anti-pullout safety factor of each geogrid layer were obtained by ensuring the overall stability of the reinforced slope.The optimum design was carried out to treat an expansive soil cut slope in Hubei Province,China,by changing the spacing and length of geogrid reinforcement.Calculation results show that the additional pullout force caused by lateral swelling has a great influence on the anti-pullout stability of geogrids,and the local stability of the reinforced slope will be overestimated if the swelling effect of soil in the free zone is not considered.
基金Project(51808228)supported by the National Natural Science Foundation of ChinaProject(OE514/10-1)supported by the German Research Foundation。
文摘Recycling end-of-life tire rubber as asphalt modifier is known as a sustainable paving technology with merits including enhanced pavement durability,waste tire consumption and noise reduction.However,the criticisms on the high construction emissions of asphalt rubber(AR)have limited its application.Warm mix asphalt(WMA)effectively reduces the mixing and compaction temperatures of conventional hot mix asphalt mixtures.The combination of AR and WMA,called warm asphalt rubber(WAR),is a promising paving material which achieves pavement sustainability from principles to practices.Many studies have demonstrated that WMA technologies work effectively with AR pavement in different ways,alleviating the concerns of potential higher emissions of AR by decreasing mixing and paving temperatures.A comprehensive literature review about WAR brings a better understanding of this promising paving technology.The findings of 165 publications were summarized in this review.It summarized the recent developments of WAR in various aspects,including rheological properties,mix design,mixture mechanical performance,field application,construction emission,and asphalt-rubber-WMA additive interaction.It is expected that this review is able to provide extensive information to explore further research development and application of WAR.
基金Project(cstc2020jcyj-msxm X0930) supported by the Natural Science Foundation of Chongqing,ChinaProject(KJQN201901522) supported by Technological Research Program of Chongqing Municipal Education Commission,ChinaProject(cx2020068) supported by the Venture&Innovation Support Program for Chongqing Overseas Returnees,China。
文摘A catalyst of ferroelectric-BaTiO_(3)@photoelectric-TiO_(2) nanohybrids(BaTiO_(3)@TiO_(2))with enhanced photocatalytic activity was synthesized via a hydrolysis precipitation combined with a hydrothermal approach.Compared to pure TiO_(2),pure BaTiO_(3) and BaTiO_(3)/TiO_(2) physical mixture,the heterostructured BaTiO_(3)@TiO_(2) exhibits significantly improved photocatalytic activity and cycling stability in decomposing Rhodamine B(RhB)and the degradation efficiency is 1.7 times higher than pure TiO_(2) and 7.2 times higher than pure BaTiO_(3).These results are mainly attributed to the synergy effect of photoelectric TiO_(2),ferroelectric-BaTiO_(3) and the rationally designed interfacial structure.The mesoporous microstructure of TiO_(2) is of a high specific area and enables excellent photocatalytic activity.The ferroelectric polarization induced built-in electric field in BaTiO_(3) nanoparticles,and the intimate interfacial interactions at the interface of BaTiO_(3) and TiO_(2) are effective in driving the separation and transport of photogenerated charge carriers.This strategy will stimulate the design of heterostructured photocatalysts with outstanding photocatalytic performance via interface engineering.
基金Project(51374246,51474249)supported by the National Natural Science Foundation of ChinaProject(2013FJ6002)supported by the Science-Technology Project of Science-Technology Department of Hunan Province,China
文摘The subcritical crack growth and fracture toughness in peridotite, lherzolite and amphibolite were investigated with double torsion test. The results show that water-rock interaction has a significant influence on subcritical crack growth. With water-rock interaction, the crack velocity increases, while the stress intensity factor declines, which illustrates that water-rock interaction can decrease the strength of rocks and accelerate the subcritical crack growth. Based on Charlse theory and Hilling & Charlse theory, the test data were analyzed by regression and the correlation coefficients were all higher than 0.7, which shows the correlation is significant. This illustrates that both theories can explain the results of tests very well. Therefore, it is believed that the subcritical crack growth attributes to the breaking of chemical bond, which is caused by the combined effect of the tensile stress and the chemical reaction between the material at crack tip and the corrosive agent. Meanwhile, water-rock interaction has a vital effect on fracture toughness. The fracture toughness of samples under atmospheric environment is higher than that of samples immersed in water. And water-rock interaction has larger influence on fracture toughness in amphibolite than that in peridotite and lherzolite.
基金Projects(61105086,51505347)supported by the National Natural Science Foundation of China
文摘The present work deals with an investigation of the self-starting aerodynamic characteristics of VAWT under fluctuating wind. In contrast to the previous studies, the rotational speed of the turbine is not fixed, the rotation of the turbine is determined by the dynamic interaction between the fluctuating wind and turbine. A weak coupling method is developed to simulate the dynamic interaction between the fluctuating wind and passive rotation turbine, and the results show that if the fluctuating wind with appropriate fluctuation amplitude and frequency, the self-starting aerodynamic characteristics of VAWT will be enhanced. It is also found that compared with the fluctuation amplitude, the fluctuation frequency of the variation in wind velocity is shown to have a minor effect on the performance of the turbine. The analysis will provide straightforward physical insight into the self-starting aerodynamic characteristics of VAWT under fluctuating wind.
基金Project(51275542) supported by the National Natural Science Foundation of Chinaproject(CDJXS12110010) supported by the Fundamental Research Funds for the Central Universities of China
文摘Based on the working principle and the damping characteristic of hydraulic shock absorber, a fluid structure interaction method was presented, which was used to analyze the microcosmic and high-frequency processing mechanism of fluid structure interaction between circulation valve and liquid of hydraulic shock absorber. The fluid mesh distortion was controlled by the CEL language, and the fluid struc^tre interaction mathematical model was established. The finite element model was established by ANSYS CFX software and was analyzed by dynamic mesh technique. The local sensitive computational area was meshed by prismatic grid, which could reduce the negative volume problem during the simulation. The circulation valve and liquid of hydraulic shock absorber were simulated and analyzed under the condition of sinusoidal inlet velocity loads. Flow characteristic and dynamics characteristic were obtained. The pressure distribution and the displacement of circulation value were obtained, and the acceleration curve of circulation valve was simulated and analyzed. The conformity of the final simulation results with the experimental datum indicates that this method is accurate and reliable to analyze the dynamics characteristic between circulation valve and liquid of hydraulic shock absorber, which can provide a theoretical foundation for optimizing hydraulic shock absorber in the future.
基金Project(51071053)supported by the National Natural Science Foundation of ChinaProject(X071117)supported by the Scientific Research Foundation of Guangxi University,ChinaProject(KF0803)supported by the Open Project of Key Laboratory of Materials Design and Preparation Technology of Hunan Province,China
文摘Abstract： With the substitution of part Mg in LaMg3 by Cu, the elastic constants CH and C12 increase while C44 decreases, implying an enhanced Poisson effect and smaller resistance to 〈001〉（100） shear. Furthermore, the bulk modulus B increases, while the shear modulus G, elastic modulus E and anisotropie ratio A are reduced. The calculated Debye temperature of LaCuMg2 is lower, implying the weaker interaction between atoms in LaCuMg2. Then, the stress-strain curves in entire range and the ideal strength at critical strain are studied. The present results show that the lowest ideal tensile strength for LaMg3 and LaCuMg2 is in the 〈100〉 direction. The ideal shear strength on the 〈 1 ^-1 0〉（110） slip system of LaMg3 is greater than LaCuMg2. The density of states and charge density distribution are further studied to understand the inherent mechanism of the mechanical properties.
基金Project(40971170) supported by the National Natural Science Foundation of ChinaProject(NCET-09-330) supported by the Program for New Century Excellent Talents in University of China
文摘The effects of soil and water conservation （SWC） on soil properties are well documented. However, definitive and quantitative information of SWC and its interactions with soil properties on soil productivity is lacking for hilly red soil region of southern China. Experiments were conducted in the hilly red soil region of southern China for seven years in three rtmoffplots, each of which represented different SWC forest-grass measures. Principal component analysis and multiple regression techniques were used to relate the aboveground biomass （representing soil productivity） to soil properties. Based on the final regression equations, soil organic carbon content （Sot） is significantly correlated with soil productivity under the condition of forest-grass measures, whereas pH value and cation exchange capacity （Cee） are the main factors for soil productivity without SWC. Therefore, SWC plays an important role in sequestering Soc and improving soil productivity.
基金Project(51464029)supported by the National Natural Science Foundation of ChinaProject(2014M562343)supported by China Postdoctoral Science FoundationProject(KKSY201421110)supported by the Scholar Development Project of Yunnan Province,China
文摘The surface states of pyrite(Fe S2) were theoretically investigated using first principle calculation based on the density functional theory(DFT). The results indicate that both the(200) and(311) surfaces of pyrite undergo significant surface atom relaxation after geometry optimization, which results in a considerable distortion of the surface region. In the normal direction, i.e., perpendicular to the surface, S atoms in the first surface layer move outward from the bulk, while Fe atoms move toward the bulk, forming an S-rich surface. The surface relaxation processes are driven by electrostatic interaction, which is evidenced by a relative decrease in the surface energy after surface relaxation. Such a relaxation process is visually interpreted through the qualitative analysis of molecular mechanics. Atomic force microscopy(AFM) analysis reveals that only sulfur atom is visible on the pyrite surface. This result is consistent with the DFT data. Such S-rich surface has important influence on the flotation properties of pyrite.
文摘The dynamic interaction between tunnel lining and its surrounding soil is a complicated issue as the magnitude of seismic wave from bedrock to the structure can be easily influenced by the geometrical layout and structural stiffness of the tunnel.A series of numerical analysis was conducted to study the dynamic response of the tunnel lining of side-by-side and vertically stacked double-tube tunnel since the inertia and kinematic interactions between the tunnel lining and the surrounding soil during an earthquake could induce excessive stresses to the lining itself due to the stiffness variation between the lining and the soil.Real earthquake ground acceleration was used as an input motion in the dynamic analysis.The interactive behavior of bending moment and axial forces,and the displacement of the tunnels were used to evaluate the effect of tunnel geometrical layout on the performance of the lining.It is found that the effect of earthquake on the axial thrust of the lining is insignificant,and there is a reduction of the bending moment in the lining due to the redistribution of the surrounding soil after the earthquake.
基金Projects(51605315,51478399)supported by the National Natural Science Foundation of ChinaProject(2013BAG20B00)supported by the National Key Technology R&D Program of ChinaProject(TPL1707)supported by the Open Project Program of the State Key Laboratory of Traction Power,China
文摘A heavy-haul train-track coupled model is developed. Taking the emergency braking of the 2×104 t combined train as example, the train longitudinal impulse, the coupler dynamic behaviors and wheel-rail interactions of vehicles distributing in the different positions are analyzed. The results indicate that under the coupler compressing forces, the couplers of middle locomotives may tilt to the free swing limits, which induces the unidirectional tilt of their connected wagon couplers. Consequently, the coupler longitudinal forces produce the lateral components, and then affect the wheel-rail dynamic interaction. The performance of the middle locomotive and their neighboring freight wagons deteriorate significantly, becoming the most dangerous parts in the combined train. The wagons disconnecting with the locomotives can basically keep their couplers to stabilize in the centering positions, even though the maximum coupler longitudinal force acts on it. And its corresponding running safety also has little changes.
基金Project(2012zzts101)supported by the Fundamental Research Funds for the Central Universities,China
文摘Carboxylmethyl cellulose(CMC) has become a commercial organic binder in agglomeration of iron ore concentrates. The relative molecular mass and degree of substitution(DS) of CMC have a large impact on its binding performance. The interaction mechanism between CMC and iron ore particles was analyzed through Zeta potential measurements, adsorption measurements and infrared spectra. The results show that the interaction is chemical adsorption-oriented and the CMC's adsorption performance is related to the properties of CMC as well as the type of iron oxides. CMC has a greater affinity to Fe2O3 than Fe3O4, and CMC with higher relative molecular mass shows a higher adsorption isotherm. Pelletization of practical iron ore concentrates added with CMC further illustrates that CMC with higher relative molecular mass or DS exhibits a better binding performance, which is consistent with the results of adsorption tests.
基金Projects(51278216,51478201)supported by the National Natural Science Foundation of China
文摘Geogrid has been extensively used in geotechnical engineering practice due to its effectiveness and economy. Deep insight into the interaction between the backfill soil and the geogrid is of great importance for proper design and construction of geogrid reinforced earth structures. Based on the calibrated model of sand and geogrid, a series of numerical pullout tests are conducted using PFC^(3D) under special considerations of particle angularity and aperture geometry of the geogrid. In this work, interface characteristics regarding the displacement and contact force developed among particles and the deformation and force distribution along the geogrid are all visualized with PFC^(3D) simulations so that new understanding on how geogrid-soil interaction develops under pullout loads can be obtained. Meanwhile, a new variable named fabric anisotropy coefficient is introduced to evaluate the inherent relationship between macroscopic strength and microscopic fabric anisotropy. A correlation analysis is adopted to compare the accuracy between the newly-proposed coefficient and the most commonly used one. Furthermore, additional pullout tests on geogrid with four different joint protrusion heights have been conducted to investigate what extent and how vertical reinforcement elements may result in reinforcement effects from perspectives of bearing resistance contribution, energy dissipation, as well as volumetric response. Numerical results show that both the magnitude and the directional variation of normal contact forces govern the development of macroscopic strength and the reinforcing effects of joint protrusion height can be attributed to the accelerated energy dissipation across the particle assembly and the intensive mobilization of the geogrid.
基金Project(20876180)supported by the National Natural Science Foundation of China
文摘Using the latest reported homologous Chemokine receptors （PDB ID： 3ODU, 3OE0 and 3OE6） as templates, twenty models of angiotensin II （Ang II） type 1 （AT1） receptor （known as p30556） were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic （MD） simulation for model 0020 was conducted in normal saline （0.9%, w/F） under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers （ARBs）. The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design：
基金support of the IMIDRO(Iranian Mines and Mining Industries Development & Renovation Organization) for our research
文摘The correspondence analysis will describe elemental association accompanying an indicator samples.This analysis indicates strong mineralization of Ag,As,Pb,Te,Mo,Au,Zn and to a lesser extent S,W,Cu at Glojeh polymetallic mineralization,NW Iran.This work proposes a backward elimination approach(BEA)that quantitatively predicts the Au concentration from main effects(X),quadratic terms(X2)and the first order interaction(Xi×Xj)of Ag,Cu,Pb,and Zn by initialization,order reduction and validation of model.BEA is done based on the quadratic model(QM),and it was eliminated to reduced quadratic model(RQM)by removing insignificant predictors.During the QM optimization process,overall convergence trend of R2,R2(adj)and R2(pred)is obvious,corresponding to increase in the R2(pred)and decrease of R2.The RQM consisted of(threshold value,Cu,Ag×Cu,Pb×Zn,and Ag2-Pb2)and(Pb,Ag×Cu,Ag×Pb,Cu×Zn,Pb×Zn,and Ag2)as main predictors of optimized model according to288and679litho-samples in trenches and boreholes,respectively.Due to the strong genetic effects with Au mineralization,Pb,Ag2,and Ag×Pb are important predictors in boreholes RQM,while the threshold value is known as an important predictor in the trenches model.The RQMs R2(pred)equal74.90%and60.62%which are verified by R2equal to73.9%and60.9%in the trenches and boreholes validation group,respectively.
